SCHEMBL13301801

SCHEMBL13301801

Cc1ccc(NC(=O)c2cccc(CF)c2)cc1Nc1nccn1-c1cc(NCCCN2CCOCC2)ncn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.59
LCK P06239 14/20 0.54
INSR P06213 13/20 0.54
LYN P07948 13/20 0.54
SRC P12931 13/20 0.54
KDR P35968 13/20 0.54
HCK P08631 11/20 0.54
BRAF P15056 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13301984 0.91 LCK (0.55) MAPK14LCKINSRLYNSRC
SCHEMBL1827776 0.90 LCK (0.67) MAPK14LCKINSRLYNSRC
SCHEMBL13301730 0.87 MAPK14 (0.52) MAPK14HCKBRAF
SCHEMBL3234843 0.86 LCK (0.66) MAPK14LCKINSRLYNSRC
SCHEMBL13301807 0.85 LCK (0.49) MAPK14LCKINSRLYNSRC
SCHEMBL13267795 0.85 LCK (0.54) MAPK14LCKINSRLYNSRC
SCHEMBL13301928 0.85 LCK (0.47) MAPK14LCKINSRLYNSRC
SCHEMBL13301799 0.85 BRAF (0.55) MAPK14LCKINSRLYNSRC
SCHEMBL1821841 0.84 LCK (0.76) LCKINSRLYNSRCKDR
SCHEMBL1833165 0.83 LCK (0.66) MAPK14LCKINSRLYNSRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US disclosed